Combined molecular dynamics and continuum solvent studies of the pre-pore Cry4Aa trimer suggest its stability in solution and how it may form pore

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Combined molecular dynamics and continuum solvent studies of the pre-pore Cry4Aa trimer suggest its stability in solution and how it may form pore is …
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scholarly articleQ13442814

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P6179Dimensions Publication ID1027688734
P356DOI10.1186/1757-5036-3-10
P2888exact matchhttps://scigraph.springernature.com/pub.10.1186/1757-5036-3-10
P932PMC publication ID3239330
P698PubMed publication ID20465833
P5875ResearchGate publication ID44595310

P2093author name stringChanan Angsuthanasombat
Chalermpol Kanchanawarin
Taveechai Taveecharoenkool
P2860cites workBacillus thuringiensis and its pesticidal crystal proteinsQ24548585
Structure of Cry2Aa suggests an unexpected receptor binding epitopeQ27632176
Structure of the insecticidal bacterial delta-endotoxin Cry3Bb1 of Bacillus thuringiensisQ27633490
Bacillus thuringiensis CryIA(a) insecticidal toxin: crystal structure and channel formationQ27729309
All-atom empirical potential for molecular modeling and dynamics studies of proteinsQ27860468
VMD: visual molecular dynamicsQ27860554
Searching protein structure databases with DaliLite v.3Q27860638
Scalable molecular dynamics with NAMDQ27860718
Crystal structure of insecticidal delta-endotoxin from Bacillus thuringiensis at 2.5 A resolutionQ28305378
Calculating structures and free energies of complex molecules: combining molecular mechanics and continuum modelsQ29616389
Insights into protein-protein binding by binding free energy calculation and free energy decomposition for the Ras-Raf and Ras-RalGDS complexes.Q30333153
Identification of residues in domain III of Bacillus thuringiensis Cry1Ac toxin that affect binding and toxicityQ33985781
Importance of Cry1 delta-endotoxin domain II loops for binding specificity in Heliothis virescens (L.).Q33988664
Revision of the nomenclature for the Bacillus thuringiensis pesticidal crystal proteinsQ34010044
Evaluating conformational free energies: the colony energy and its application to the problem of loop predictionQ34064011
Mutagenic analysis of a conserved region of domain III in the Cry1Ac toxin of Bacillus thuringiensisQ34096691
Structure of the functional form of the mosquito larvicidal Cry4Aa toxin from Bacillus thuringiensis at a 2.8-angstrom resolutionQ34564934
Structure, diversity, and evolution of protein toxins from spore-forming entomopathogenic bacteria.Q35582981
Force fields for protein simulationsQ35590728
Structural and functional analysis of the pre-pore and membrane-inserted pore of Cry1Ab toxin.Q36507715
The structure and organization within the membrane of the helices composing the pore-forming domain of Bacillus thuringiensis delta-endotoxin are consistent with an "umbrella-like" structure of the poreQ36522944
Two conformational states of the membrane-associated Bacillus thuringiensis Cry4Ba delta-endotoxin complex revealed by electron crystallography: implications for toxin-pore formationQ36975000
The pre-pore from Bacillus thuringiensis Cry1Ab toxin is necessary to induce insect death in Manduca sextaQ37069589
Membrane-permeabilizing activities of Bacillus thuringiensis coleopteran-active toxin CryIIIB2 and CryIIIB2 domain I peptide.Q38575530
Role of bacillus thuringiensis toxin domains in toxicity and receptor binding in the diamondback mothQ39481521
Loop modeling: Sampling, filtering, and scoringQ41875634
Bacillus thuringiensis Cry1Ab mutants affecting oligomer formation are non-toxic to Manduca sexta larvae.Q42033139
Novel preparation and characterization of the alpha4-loop-alpha5 membrane-perturbing peptide from the Bacillus thuringiensis Cry4Ba delta-endotoxinQ42037127
Crystal structure of the mosquito-larvicidal toxin Cry4Ba and its biological implicationsQ42041533
N-acetylgalactosamine on the putative insect receptor aminopeptidase N is recognised by a site on the domain III lectin-like fold of a Bacillus thuringiensis insecticidal toxinQ42058769
Domain III of the Bacillus thuringiensis delta-endotoxin Cry1Ac is involved in binding to Manduca sexta brush border membranes and to its purified aminopeptidase N.Q42059149
Bacillus thuringiensis Cry4A and Cry4B mosquito-larvicidal proteins: homology-based 3D model and implications for toxin activityQ42988050
Structural requirements of the unique disulphide bond and the proline-rich motif within the alpha4-alpha5 loop for larvicidal activity of the Bacillus thuringiensis Cry4Aa delta-endotoxinQ42991543
Converging free energy estimates: MM-PB(GB)SA studies on the protein-protein complex Ras-Raf.Q45952403
Morphology of protein-protein interfaces.Q64992199
Insertion and organization within membranes of the delta-endotoxin pore-forming domain, helix 4-loop-helix 5, and inhibition of its activity by a mutant helix 4 peptideQ73794362
Estimation of the radius of the pores formed by the Bacillus thuringiensis Cry1C delta-endotoxin in planar lipid bilayersQ78679401
P433issue1
P407language of work or nameEnglishQ1860
P304page(s)10
P577publication date2010-05-13
P1433published inPMC biophysicsQ27721899
P1476titleCombined molecular dynamics and continuum solvent studies of the pre-pore Cry4Aa trimer suggest its stability in solution and how it may form pore
P478volume3

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cites work (P2860)
Q39029231Aedes aegypti Mos20 cells internalizes cry toxins by endocytosis, and actin has a role in the defense against Cry11Aa toxin.
Q38200897Bacillus thuringiensis subsp. israelensis and its dipteran-specific toxins
Q37849891Bacillus thuringiensis: A story of a successful bioinsecticide
Q36940099Cadherin binding is not a limiting step for Bacillus thuringiensis subsp. israelensis Cry4Ba toxicity to Aedes aegypti larvae.
Q42017688Domains II and III of Bacillus thuringiensis Cry1Ab toxin remain exposed to the solvent after insertion of part of domain I into the membrane
Q28744531Dominant negative phenotype of Bacillus thuringiensis Cry1Ab, Cry11Aa and Cry4Ba mutants suggest hetero-oligomer formation among different Cry toxins
Q37727963Functional Contributions of Positive Charges in the Pore-Lining Helix 3 of the Bordetella pertussis CyaA-Hemolysin to Hemolytic Activity and Ion-Channel Opening
Q55540372Helix α-3 inter-molecular salt bridges and conformational changes are essential for toxicity of Bacillus thuringiensis 3D-Cry toxin family.
Q36015759Modification of Cry4Aa toward Improved Toxin Processing in the Gut of the Pea Aphid, Acyrthosiphon pisum
Q40796091Potential Prepore Trimer Formation by the Bacillus thuringiensis Mosquito-specific Toxin: MOLECULAR INSIGHTS INTO A CRITICAL PREREQUISITE OF MEMBRANE-BOUND MONOMERS.

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